Pushing the limits of the periodic table — A review on atomic relativistic electronic structure theory and calculations for the superheavy elements

Journal Article · 13 October 2023 · Physics Reports

DOI: https://doi.org/10.1016/j.physrep.2023.09.004 · OSTI ID:2315602

Smits, O. R.  ^[1]; Indelicato, P.  ^[2]; Nazarewicz, W.  ^[3]; Piibeleht, M. ^[1]; Schwerdtfeger, P.  ^[1]

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1. Massey University Auckland (New Zealand)
2. Sorbonne Univ., Paris (France); Centre National de la Recherche Scientifique (CNRS) (France); College de France, Paris (France)
3. Michigan State Univ., East Lansing, MI (United States)

We review the progress in atomic structure theory with a focus on superheavy elements and their predicted ground state configurations important for an element’s placement in the periodic table. To understand the electronic structure and correlations in the regime of large atomic numbers, it is essential to correctly solve the Dirac equation in strong Coulomb fields, and to take into account quantum electrodynamic effects. We specifically focus on the fundamental difficulties encountered when dealing with the many-particle Dirac equation. We further discuss the possibility for future many-electron atomic structure calculations going beyond the critical nuclear charge $$Z_{crit}≈170$$, where levels such as the $1s$ shell dive into the negative energy continuum ($$E_{nκ} < –m_{e}c^2$$). The nature of the resulting Gamow states within a rigged Hilbert space formalism is highlighted.

• Research Organization: Michigan State Univ., East Lansing, MI (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Nuclear Physics (NP)
• Grant/Contract Number: NA0004074; SC0013365
• OSTI ID: 2315602
• Journal Information: Physics Reports, Vol. 1035; ISSN 0370-1573
• Publisher: ElsevierCopyright Statement
• Country of Publication: United States
• Language: English